# gmx editconf -f prilo_one_eq.gro -box 8 8 8 -o prilo_one_box.gro
# gmx insert-molecules -f prilo_one_box.gro -ci prilo_one_box.gro -nmol 999 -try 1000 -o prilo_box.gro

#gmx grompp -f min_sd.mdp -c prilo_box.gro -p topol.top -imd prilo_box_eq.gro 
#gmx mdrun
echo "***************************************************************************"
echo "****************************START SCRIPT*************************************"
echo "***************************************************************************"
echo ""
echo "***********conf1,dens=600********************"
echo ""
echo ""
gmx editconf -f prilo_box_d550.gro -density 600 -o prilo_box_d600.gro
gmx grompp -f min_sd.mdp -c prilo_box_d600.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d600_eq.gro
echo "***********conf1,dens=650********************"
echo ""
echo ""
gmx editconf -f prilo_box_d600_eq.gro -density 650 -o prilo_box_d650.gro
gmx grompp -f min_sd.mdp -c prilo_box_d650.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d650_eq.gro
echo "***********conf1,dens=700********************"
echo ""
echo ""
gmx editconf -f prilo_box_d650_eq.gro -density 700 -o prilo_box_d700.gro
gmx grompp -f min_sd.mdp -c prilo_box_d700.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d700_eq.gro
echo "***********conf1,dens=750********************"
echo ""
echo ""
gmx editconf -f prilo_box_d700_eq.gro -density 750 -o prilo_box_d750.gro
gmx grompp -f min_sd.mdp -c prilo_box_d750.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d750_eq.gro
echo "***********conf1,dens=800********************"
echo ""
echo ""
gmx editconf -f prilo_box_d750_eq.gro -density 800 -o prilo_box_d800.gro
gmx grompp -f min_sd.mdp -c prilo_box_d800.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d800_eq.gro
echo "***********conf1,dens=850********************"
echo ""
echo ""
gmx editconf -f prilo_box_d800_eq.gro -density 850 -o prilo_box_d850.gro
gmx grompp -f min_sd.mdp -c prilo_box_d850.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d850_eq.gro
echo "***********conf1,dens=900********************"
echo ""
echo ""
gmx editconf -f prilo_box_d850_eq.gro -density 900 -o prilo_box_d900.gro
gmx grompp -f min_sd.mdp -c prilo_box_d900.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d900_eq.gro
echo "***********conf1,dens=950********************"
echo ""
echo ""
gmx editconf -f prilo_box_d900_eq.gro -density 950 -o prilo_box_d950.gro
gmx grompp -f min_sd.mdp -c prilo_box_d950.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d950_eq.gro
echo "***********conf1,dens=1000********************"
echo ""
echo ""
gmx editconf -f prilo_box_d950_eq.gro -density 1000 -o prilo_box_d1000.gro
gmx grompp -f min_sd.mdp -c prilo_box_d1000.gro -p topol.top 
gmx mdrun
mv confout.gro prilo_box_d1000_eq.gro
echo "FIN"



